- InChI
- InChI=1S/C33H68O/c1-4-30-33(2)31-28-26-24-22-20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21-23-25-27-29-32-34-3/h33H,4-32H2,1-3H3
- InChI Key
- HYQXPMVPGWHTEJ-UHFFFAOYSA-N
- Formula
- C33H68O
- SMILES
-
CCCC(C)CCCCCCCCCCCCCCCCCCCCCCC
CCCCOC - Molecular Weight1
- 480.91
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 1.3117 | Relay (1.0) Calculated Property | |
| ΔfG° | 119.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -855.53 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 78.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 164.04 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.09 | eV | Relay (1.0) Calculated Property |
| log10WS | -11.15 | Relay (1.0) Calculated Property | |
| logPoct/wat | 12.212 | Crippen Calculated Property | |
| McVol | 481.700 | ml/mol | McGowan Calculated Property |
| Pc | 517.70 | kPa | Joback Calculated Property |
| Inp | 3392.00 | NIST | |
| Tboil | 668.95 | K | Relay (1.0) Calculated Property |
| Tc | 844.27 | K | Relay (1.0) Calculated Property |
| Tfus | 312.12 | K | Relay (1.0) Calculated Property |
| Vc | 1.868 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [720.63; 1740.87] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -3.29100e+00 | |||
| Coefficient B | 3.08156e+00 | |||
| Coefficient C | -1.66360e-03 | |||
| Coefficient D | 3.26200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 720.63 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 893.13 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 1048.43 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1187.58 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1311.60 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1421.52 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1518.38 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1603.20 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1677.02 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1740.87 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0005402; 0.0000170] | Pa×s | [468.90; 857.87] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.51533e+01 | |||
| Coefficient B | 3.57763e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 468.90 | |||
| Temperature range, max. | 857.87 | |||
| η | 0.0005402 | Pa×s | 468.90 | Calculated Property |
| η | 0.0002838 | Pa×s | 512.12 | Calculated Property |
| η | 0.0001648 | Pa×s | 555.34 | Calculated Property |
| η | 0.0001035 | Pa×s | 598.56 | Calculated Property |
| η | 0.0000692 | Pa×s | 641.78 | Calculated Property |
| η | 0.0000487 | Pa×s | 684.99 | Calculated Property |
| η | 0.0000357 | Pa×s | 728.21 | Calculated Property |
| η | 0.0000271 | Pa×s | 771.43 | Calculated Property |
| η | 0.0000212 | Pa×s | 814.65 | Calculated Property |
| η | 0.0000170 | Pa×s | 857.87 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Methoxy-28-methylhentriacontane.
Sources
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